CID 51060274

2-ethoxy-4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C25H24N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H24N2O6/c1-3-32-22-15-17(16-26-27-24(29)23(28)18-7-5-4-6-8-18)9-14-21(22)33-25(30)19-10-12-20(31-2)13-11-19/h4-16,23,28H,3H2,1-2H3,(H,27,29)/b26-16+
InChIKey
CTXMGPZOYIQPSA-WGOQTCKBSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.170696 206.8
[M+Na]+ 471.152638 209.6
[M-H]- 447.156144 215.8
[M+NH4]+ 466.197243 213.8
[M+K]+ 487.126578 207.3
[M+H-H2O]+ 431.160680 195.4
[M+HCOO]- 493.161621 229.1
[M+CH3COO]- 507.177271 235.6
[M+Na-2H]- 469.138086 207.2
[M]+ 448.16287142 210.7
[M]- 448.16396858 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.